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Improved trial wave functions in quantum Monte Carlo: Application to acetylene and its dissociation fragments

Journal Article · Mon Dec 11 23:00:00 EST 2000 · Journal of Chemical Physics

OSTI ID:776640

Barnett, R N ^[1]; Xun, Z; Lester, Jr, W A

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Research Organization:: Lawrence Berkeley National Lab., CA (US)

Sponsoring Organization:: USDOE Director, Office of Science. Office of Basic Energy Studies. Division of Chemical Sciences (US)

DOE Contract Number:: AC03-76SF00098

OSTI ID:: 776640

Report Number(s):: LBNL--47206

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 114; ISSN JCPSA6; ISSN 0021-9606

Country of Publication:: United States

Language:: English

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ACETYLENE
DISSOCIATION
MONTE CARLO METHOD
WAVE FUNCTIONS